N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

C26H29N5O2 — CID 171537525

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NCCN(C)C
InChIInChI=1S/C26H29N5O2/c1-5-18-14-19(7-9-23(18)26(32)28-12-13-30(2)3)24-15-22(10-11-27-24)33-21-8-6-20-17-29-31(4)25(20)16-21/h6-11,14-17H,5,12-13H2,1-4H3,(H,28,32)
InChIKeyZRFNSGVKGJPRRR-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.28
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (PubChem CID 171537525) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
PubChem CID171537525
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NCCN(C)C
InChIInChI=1S/C26H29N5O2/c1-5-18-14-19(7-9-23(18)26(32)28-12-13-30(2)3)24-15-22(10-11-27-24)33-21-8-6-20-17-29-31(4)25(20)16-21/h6-11,14-17H,5,12-13H2,1-4H3,(H,28,32)
InChIKeyZRFNSGVKGJPRRR-UHFFFAOYSA-N
XLogP4.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (CID 171537525) is N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is CCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is ZRFNSGVKGJPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-5-18-14-19(7-9-23(18)26(32)28-12-13-30(2)3)24-15-22(10-11-27-24)33-21-8-6-20-17-29-31(4)25(20)16-21/h6-11,14-17H,5,12-13H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 171537525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).